[4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]phenyl] benzoate

Systemtic Name: [4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]phenyl] benzoate Openeye Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenyl] benzoate CAS Name: benzoic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenyl] ester IUPAC Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]phenyl] benzoate Traditional Name: benzoic acid [4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]phenyl] ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C4=C(NNC4=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C4=C(NNC4=O)C

InChI

InChI=1S/C22H20N4O4/c1-12-17(20(27)25-23-12)19(18-13(2)24-26-21(18)28)14-8-10-16(11-9-14)30-22(29)15-6-4-3-5-7-15/h3-11,19H,1-2H3,(H2,23,25,27)(H2,24,26,28)